N-[4-[[9-propan-2-yl-6-[(4-thiophen-3-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide

Systemtic Name: N-[4-[[9-propan-2-yl-6-[(4-thiophen-3-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[[4-(3-thienyl)phenyl]methylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[9-propan-2-yl-6-[[4-(3-thiophenyl)phenyl]methylamino]-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[9-propan-2-yl-6-[(4-thiophen-3-ylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-isopropyl-6-[[4-(3-thienyl)benzyl]amino]purin-2-yl]amino]cyclohexyl]acetamide Formula: C27H33N7OS MolecularWeight: 503.66222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CSC=C4)NC5CCC(CC5)NC(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CSC=C4)NC5CCC(CC5)NC(=O)C

InChI

InChI=1S/C27H33N7OS/c1-17(2)34-16-29-24-25(28-14-19-4-6-20(7-5-19)21-12-13-36-15-21)32-27(33-26(24)34)31-23-10-8-22(9-11-23)30-18(3)35/h4-7,12-13,15-17,22-23H,8-11,14H2,1-3H3,(H,30,35)(H2,28,31,32,33)